SCHEMBL9504634

SCHEMBL9504634

[CH2]CCCC(=O)N(CCCC)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KDM5A P29375 11/20 0.41
KDM4C Q9H3R0 10/20 0.41
PHF8 Q9UPP1 4/20 0.39
KDM4A O75164 2/20 0.39
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
LMNA P02545 1/20 0.34
EPHX2 P34913 2/20 0.34
CNR1 P21554 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9507720 0.90 ALDH1A1 (0.43) ALDH1A1KDM5AKDM4CPHF8KDM4A
SCHEMBL9504652 0.85 ALDH1A1 (0.42) ALDH1A1KDM5AKDM4CPHF8KDM4A
SCHEMBL5204615 0.82 EPHX2 (0.49) ALDH1A1KDM5AKDM4CPHF8KDM4A
SCHEMBL5206232 0.80 MMP1 (0.48) ALDH1A1KDM5AKDM4CPHF8CA12
SCHEMBL4894918 0.78 KDM5A (0.54) ALDH1A1KDM5AKDM4CPHF8KDM4A
SCHEMBL10593382 0.77 ALDH1A1 (0.42) ALDH1A1KDM5AKDM4CPHF8KDM4A
SCHEMBL5208922 0.77 ALDH1A1 (0.50) ALDH1A1KDM5AKDM4CPHF8CA12
SCHEMBL5208505 0.77 LMNA (0.54) ALDH1A1KDM5AKDM4CCA12CA1
SCHEMBL2454690 0.76 ALDH1A1 (0.50) ALDH1A1KDM5AKDM4CPHF8EPHX2
SCHEMBL2460311 0.76 ALDH1A1 (0.50) ALDH1A1KDM5AKDM4CPHF8EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434354-B1 SEPARATION MATERIAL FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1993-08-11 EP disclosed
EP-0434354-A1 Separation material for blood coagulation factor, preparation and use thereof KURITA WATER INDUSTRIES LTD. (JP) 1991-06-26 EP disclosed